1-prop-2-enylpiperidine;urea

C9H19N3O — CID 66978518

IUPAC1-prop-2-enylpiperidine;urea
SMILESC=CCN1CCCCC1.NC(N)=O
InChIInChI=1S/C8H15N.CH4N2O/c1-2-6-9-7-4-3-5-8-9;2-1(3)4/h2H,1,3-8H2;(H4,2,3,4)
InChIKeyWDTRDEAJOPGOHY-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.68
Rot. Bonds2

About 1-prop-2-enylpiperidine;urea

1-prop-2-enylpiperidine;urea (PubChem CID 66978518) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-prop-2-enylpiperidine;urea.

Molecular Properties

Compound Name1-prop-2-enylpiperidine;urea
PubChem CID66978518
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-prop-2-enylpiperidine;urea
SMILESC=CCN1CCCCC1.NC(N)=O
InChIInChI=1S/C8H15N.CH4N2O/c1-2-6-9-7-4-3-5-8-9;2-1(3)4/h2H,1,3-8H2;(H4,2,3,4)
InChIKeyWDTRDEAJOPGOHY-UHFFFAOYSA-N
XLogP0.68
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl(213C)azinane
CID 173137320
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride
CID 159798252
2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid
CID 2050807
3-amino-1-prop-2-enylpiperidine-3-carboxylic acid
CID 117011810
4-piperidin-1-yl-1-prop-2-enylpiperidine
CID 51086783
morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 23760989
3-prop-2-enyl-3-azaspiro[5.5]undecane
CID 125489505
N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119916925
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
2-(4-prop-2-enylpiperazin-1-yl)ethanol
CID 4739633
1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 99841220

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpiperidine;urea?
The IUPAC name of 1-prop-2-enylpiperidine;urea (CID 66978518) is 1-prop-2-enylpiperidine;urea.
What is the SMILES notation for 1-prop-2-enylpiperidine;urea?
The canonical SMILES for 1-prop-2-enylpiperidine;urea is C=CCN1CCCCC1.NC(N)=O.
What is the InChIKey of 1-prop-2-enylpiperidine;urea?
The InChIKey is WDTRDEAJOPGOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.CH4N2O/c1-2-6-9-7-4-3-5-8-9;2-1(3)4/h2H,1,3-8H2;(H4,2,3,4).
What are the key properties of 1-prop-2-enylpiperidine;urea?
1-prop-2-enylpiperidine;urea has a molecular weight of 185.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperidine;urea is sourced from PubChem (CID 66978518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).